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CAS 116436-10-3 N-(5-BROMO-2-METHYLPHENYL)ACETAMIDE molecular structure lightbox
CAS RN: 116436-10-3

N-(5-BROMO-2-METHYLPHENYL)ACETAMIDE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260303 1g In stock Inquiry
Batchno.20250129 25g In stock Inquiry
Batchno.20260105 5g In stock Inquiry
  • Product code: SSC-016477
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 116436-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

116436-10-3 / N-(5-bromo-2-methylphenyl)acetamide

N-(5-Bromo-2-methylphenyl)acetamide | DTXSID50557771 | RefChem:362325

Standard CAS: 116436-10-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
116436-10-3
Multi CAS
No
Molecular Formula
C9H10BrNO
Molecular Weight
228.090000
Exact Mass
226.994580
SMILES
CC1=C(C=C(C=C1)Br)NC(=O)C
InChI
InChI=1S/C9H10BrNO/c1-6-3-4-8(10)5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey
HCSKOFDCUTVQKW-UHFFFAOYSA-N
Synonyms
N-(5-Bromo-2-methylphenyl)acetamide DTXSID50557771 RefChem:362325 DTXCID20508553 2-ACETAMIDO-4-BROMOTOLUENE

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.18
TPSA
29.1

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
1.9
Consensus LogP
2.34
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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